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PUBCHEM-ZINC05680107

 MMsINC code: MMs03345547
Type: Neutral
Formula: C16H9Cl4NO2
SMILES:   Clc1ccccc1-c1noc(c1)COc1cc(Cl)c(Cl)cc1Cl
InChI:   InChI=1/C16H9Cl4NO2/c17-11-4-2-1-3-10(11)15-5-9(23-21-15)8-22-16-7-13(19)12(18)6-14(16)20/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=90.3713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.065 g/mol  logS: -7.33477  SlogP: 6.8006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578045  Sterimol/B1: 2.42804  Sterimol/B2: 3.75429  Sterimol/B3: 5.47816
  Sterimol/B4: 5.99324  Sterimol/L: 18.5446 
 
 Surface and Volume Properties
  Accessible surface: 584.775  Positive charged surface: 184.385  Negative charged surface: 400.39  Volume: 306.875
  Hydrophobic surface: 558.354  Hydrophilic surface: 26.421
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.